SCHEMBL3459890

SCHEMBL3459890

CCOC(=O)c1cc2c(CO)cccn2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
SPR P35270 2/20 0.47
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
ELANE P08246 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CA9 Q16790 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR1H2 P55055 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25348205 0.90 SPR (0.49) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL3460031 0.83 SPR (0.47) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL28573813 0.83 SPR (0.47) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL18367334 0.82 GAA (0.48) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL3459620 0.82 MAPT (0.47) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL24338940 0.81 CYP4F2 (0.45) CYP1A2KMT2AMAPTTP53KDM4E
SCHEMBL1665456 0.80 APOBEC3A (0.46) SPRMAPTTP53KDM4EPOLB
SCHEMBL30540553 0.78 SPR (0.48) ADORA3SPRCYP1A2GAAKMT2A
SCHEMBL544288 0.75 KDM4E (0.41) CYP1A2GAAKMT2ATP53KDM4E
SCHEMBL4051803 0.75 TP53 (0.65) MAPTTP53KDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
WO-2008124153-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 ADORA3 15/4885SPR 3310/4885CYP1A2 837/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 ADORA3 15/4885SPR 3276/4885CYP1A2 976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.